3-[[[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]methyl]benzonitrile

C20H22FN3O — CID 94182908

IUPAC3-[[[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]methyl]benzonitrile
SMILESN#Cc1cccc(CNC[C@@H](c2ccc(F)cc2)N2CCOCC2)c1
InChIInChI=1S/C20H22FN3O/c21-19-6-4-18(5-7-19)20(24-8-10-25-11-9-24)15-23-14-17-3-1-2-16(12-17)13-22/h1-7,12,20,23H,8-11,14-15H2/t20-/m0/s1
InChIKeyXBZOVYPFYSWCFS-FQEVSTJZSA-N
MW339.41 g/mol
LogP2.86
Rot. Bonds6

About 3-[[[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]methyl]benzonitrile

3-[[[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]methyl]benzonitrile (PubChem CID 94182908) has the molecular formula C20H22FN3O and a molecular weight of 339.41 g/mol. Its IUPAC name is 3-[[[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]methyl]benzonitrile.

Molecular Properties

Compound Name3-[[[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]methyl]benzonitrile
PubChem CID94182908
Molecular FormulaC20H22FN3O
Molecular Weight339.41 g/mol
Exact Mass339.17
IUPAC Name3-[[[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]methyl]benzonitrile
SMILESN#Cc1cccc(CNC[C@@H](c2ccc(F)cc2)N2CCOCC2)c1
InChIInChI=1S/C20H22FN3O/c21-19-6-4-18(5-7-19)20(24-8-10-25-11-9-24)15-23-14-17-3-1-2-16(12-17)13-22/h1-7,12,20,23H,8-11,14-15H2/t20-/m0/s1
InChIKeyXBZOVYPFYSWCFS-FQEVSTJZSA-N
XLogP2.86
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[[(2S)-2-(3-methylphenyl)-2-morpholin-4-ylethyl]amino]methyl]benzonitrile
CID 38071417
3-[[[2-(3-methylphenyl)-2-morpholin-4-ylethyl]amino]methyl]benzonitrile
CID 47030764
3-[[(2-hydroxy-3-morpholin-4-ylpropyl)amino]methyl]benzonitrile
CID 60695641
4-[[[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]amino]methyl]benzonitrile
CID 119123498
4-[3-[[(2-morpholin-4-yl-2-phenylethyl)amino]methyl]phenoxy]butanenitrile
CID 119108874
3-[[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]methyl]benzonitrile
CID 60918684
3-[[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]methyl]benzonitrile
CID 47014029
3-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-4-nitrobenzonitrile
CID 133478177
3-[[(3-fluoro-4-morpholin-4-ylphenyl)methylamino]methyl]benzonitrile;hydrochloride
CID 56796595
1-[(4-cyanophenyl)methyl]-3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylguanidine;hydroiodide
CID 111312399
N-[(3,4-dimethylphenyl)methyl]-2-morpholin-4-yl-2-phenylethanamine
CID 78849561
1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methyl-3-[(3-methylphenyl)methyl]guanidine
CID 111311960

Frequently Asked Questions

What is the IUPAC name of 3-[[[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]methyl]benzonitrile?
The IUPAC name of 3-[[[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]methyl]benzonitrile (CID 94182908) is 3-[[[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]methyl]benzonitrile.
What is the SMILES notation for 3-[[[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]methyl]benzonitrile?
The canonical SMILES for 3-[[[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]methyl]benzonitrile is N#Cc1cccc(CNC[C@@H](c2ccc(F)cc2)N2CCOCC2)c1.
What is the InChIKey of 3-[[[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]methyl]benzonitrile?
The InChIKey is XBZOVYPFYSWCFS-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H22FN3O/c21-19-6-4-18(5-7-19)20(24-8-10-25-11-9-24)15-23-14-17-3-1-2-16(12-17)13-22/h1-7,12,20,23H,8-11,14-15H2/t20-/m0/s1.
What are the key properties of 3-[[[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]methyl]benzonitrile?
3-[[[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]methyl]benzonitrile has a molecular weight of 339.41 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]methyl]benzonitrile is sourced from PubChem (CID 94182908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).